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CHARGE=-3 PULAY SYMMETRY UHF QUINTET PM7 Co(III)I6 d6 <Co-I> GR=PW91D Co 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.79678800 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.79678800 +0 90.0000000 +0 0.0000000 +0 1 2 0 I 2.79678800 +1 90.0000000 +0 180.0000000 +0 1 2 3 I 2.79678800 +0 180.0000000 +0 0.0000000 +0 1 2 3 I 2.79678800 +1 90.0000000 +1 90.0000000 +0 1 2 3 I 2.79678800 +0 90.0000000 +0 -90.0000000 +0 1 2 3